6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

C18H22O2 — CID 79562624

IUPAC6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC3CC4CCC3C4)ccc21
InChIInChI=1S/C18H22O2/c19-18-3-1-2-14-10-16(6-7-17(14)18)20-11-15-9-12-4-5-13(15)8-12/h6-7,10,12-13,15H,1-5,8-9,11H2
InChIKeyYNEURLIRZACSJK-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.02
Rot. Bonds3

About 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79562624) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79562624
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC3CC4CCC3C4)ccc21
InChIInChI=1S/C18H22O2/c19-18-3-1-2-14-10-16(6-7-17(14)18)20-11-15-9-12-4-5-13(15)8-12/h6-7,10,12-13,15H,1-5,8-9,11H2
InChIKeyYNEURLIRZACSJK-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65210703
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
CID 106500780
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,6-dimethylbenzenesulfonyl chloride
CID 79562208
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102724411
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294

Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 79562624) is 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCC3CC4CCC3C4)ccc21.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YNEURLIRZACSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-18-3-1-2-14-10-16(6-7-17(14)18)20-11-15-9-12-4-5-13(15)8-12/h6-7,10,12-13,15H,1-5,8-9,11H2.
What are the key properties of 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79562624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).